N-[(2-cyclohexylsulfanyl-5-fluorophenyl)methyl]propan-2-amine

C16H24FNS — CID 63808583

IUPACN-[(2-cyclohexylsulfanyl-5-fluorophenyl)methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)ccc1SC1CCCCC1
InChIInChI=1S/C16H24FNS/c1-12(2)18-11-13-10-14(17)8-9-16(13)19-15-6-4-3-5-7-15/h8-10,12,15,18H,3-7,11H2,1-2H3
InChIKeyCXLAMVYVXKXJJY-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.75
Rot. Bonds5

About N-[(2-cyclohexylsulfanyl-5-fluorophenyl)methyl]propan-2-amine

N-[(2-cyclohexylsulfanyl-5-fluorophenyl)methyl]propan-2-amine (PubChem CID 63808583) has the molecular formula C16H24FNS and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[(2-cyclohexylsulfanyl-5-fluorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-cyclohexylsulfanyl-5-fluorophenyl)methyl]propan-2-amine
PubChem CID63808583
Molecular FormulaC16H24FNS
Molecular Weight281.44 g/mol
Exact Mass281.16
IUPAC NameN-[(2-cyclohexylsulfanyl-5-fluorophenyl)methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)ccc1SC1CCCCC1
InChIInChI=1S/C16H24FNS/c1-12(2)18-11-13-10-14(17)8-9-16(13)19-15-6-4-3-5-7-15/h8-10,12,15,18H,3-7,11H2,1-2H3
InChIKeyCXLAMVYVXKXJJY-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-cyclopentylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 63813322
1-(2-cyclohexylsulfanyl-5-fluorophenyl)butan-2-amine
CID 63820015
1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanamine
CID 63114870
(1R)-1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanol
CID 63835814
N-[[5-fluoro-2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine
CID 107761647
N-[[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]methyl]propan-1-amine
CID 63814240
1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 63794443
N-[(2-cyclohexylsulfanyl-5-methylphenyl)methyl]ethanamine
CID 114055413
2-bromo-1-cyclopropylsulfanyl-4-fluorobenzene
CID 84706062
N-[[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine
CID 63814518
[1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]azepan-2-yl]methanol
CID 116635482
N-[(4-cyclopentylsulfanyl-3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 63814069

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohexylsulfanyl-5-fluorophenyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-cyclohexylsulfanyl-5-fluorophenyl)methyl]propan-2-amine (CID 63808583) is N-[(2-cyclohexylsulfanyl-5-fluorophenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-cyclohexylsulfanyl-5-fluorophenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-cyclohexylsulfanyl-5-fluorophenyl)methyl]propan-2-amine is CC(C)NCc1cc(F)ccc1SC1CCCCC1.
What is the InChIKey of N-[(2-cyclohexylsulfanyl-5-fluorophenyl)methyl]propan-2-amine?
The InChIKey is CXLAMVYVXKXJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNS/c1-12(2)18-11-13-10-14(17)8-9-16(13)19-15-6-4-3-5-7-15/h8-10,12,15,18H,3-7,11H2,1-2H3.
What are the key properties of N-[(2-cyclohexylsulfanyl-5-fluorophenyl)methyl]propan-2-amine?
N-[(2-cyclohexylsulfanyl-5-fluorophenyl)methyl]propan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohexylsulfanyl-5-fluorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 63808583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).